(5-fluoro-2,4-dioxopyrimidin-1-yl) N-hexadecyl-N-methylcarbamate

C22H38FN3O4 — CID 172693375

IUPAC(5-fluoro-2,4-dioxopyrimidin-1-yl) N-hexadecyl-N-methylcarbamate
SMILESCCCCCCCCCCCCCCCCN(C)C(=O)On1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C22H38FN3O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(2)22(29)30-26-18-19(23)20(27)24-21(26)28/h18H,3-17H2,1-2H3,(H,24,27,28)
InChIKeyBZGUOEWNODDOSS-UHFFFAOYSA-N
MW427.56 g/mol
LogP4.64
Rot. Bonds16

About (5-fluoro-2,4-dioxopyrimidin-1-yl) N-hexadecyl-N-methylcarbamate

(5-fluoro-2,4-dioxopyrimidin-1-yl) N-hexadecyl-N-methylcarbamate (PubChem CID 172693375) has the molecular formula C22H38FN3O4 and a molecular weight of 427.56 g/mol. Its IUPAC name is (5-fluoro-2,4-dioxopyrimidin-1-yl) N-hexadecyl-N-methylcarbamate.

Molecular Properties

Compound Name(5-fluoro-2,4-dioxopyrimidin-1-yl) N-hexadecyl-N-methylcarbamate
PubChem CID172693375
Molecular FormulaC22H38FN3O4
Molecular Weight427.56 g/mol
Exact Mass427.28
IUPAC Name(5-fluoro-2,4-dioxopyrimidin-1-yl) N-hexadecyl-N-methylcarbamate
SMILESCCCCCCCCCCCCCCCCN(C)C(=O)On1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C22H38FN3O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(2)22(29)30-26-18-19(23)20(27)24-21(26)28/h18H,3-17H2,1-2H3,(H,24,27,28)
InChIKeyBZGUOEWNODDOSS-UHFFFAOYSA-N
XLogP4.64
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.56
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(5-fluoro-2,4-dioxopyrimidin-1-yl) 2-hydroxypropanoate
CID 174630009
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl heptanoate
CID 13014276
5-fluoro-1-(2-hydroxyoctyl)pyrimidine-2,4-dione
CID 11322863
5-fluoro-1-methoxypyrimidine-2,4-dione
CID 164899020
[methyl(octadecyl)amino] N-methyl-N-octadecylcarbamate
CID 101201104
methyl N-hexyl-N-methylcarbamate
CID 14923771
ethyl N-methyl-N-octylcarbamate
CID 15790108
undecyl N-methyl-N-pentylcarbamate
CID 54297307
N-[4-(5-fluoro-2,4-dioxopyrimidin-1-yl)phenyl]tetradecanamide
CID 175478497
N-[4-(5-fluoro-2,4-dioxopyrimidin-1-yl)phenyl]hexadecanamide
CID 175478487
propan-2-yl N-hexyl-N-methylcarbamate
CID 88569732
propan-2-yl N-methyl-N-octylcarbamate
CID 166755395

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl) N-hexadecyl-N-methylcarbamate?
The IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl) N-hexadecyl-N-methylcarbamate (CID 172693375) is (5-fluoro-2,4-dioxopyrimidin-1-yl) N-hexadecyl-N-methylcarbamate.
What is the SMILES notation for (5-fluoro-2,4-dioxopyrimidin-1-yl) N-hexadecyl-N-methylcarbamate?
The canonical SMILES for (5-fluoro-2,4-dioxopyrimidin-1-yl) N-hexadecyl-N-methylcarbamate is CCCCCCCCCCCCCCCCN(C)C(=O)On1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of (5-fluoro-2,4-dioxopyrimidin-1-yl) N-hexadecyl-N-methylcarbamate?
The InChIKey is BZGUOEWNODDOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38FN3O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(2)22(29)30-26-18-19(23)20(27)24-21(26)28/h18H,3-17H2,1-2H3,(H,24,27,28).
What are the key properties of (5-fluoro-2,4-dioxopyrimidin-1-yl) N-hexadecyl-N-methylcarbamate?
(5-fluoro-2,4-dioxopyrimidin-1-yl) N-hexadecyl-N-methylcarbamate has a molecular weight of 427.56 g/mol, XLogP of 4.64, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,4-dioxopyrimidin-1-yl) N-hexadecyl-N-methylcarbamate is sourced from PubChem (CID 172693375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).